Hypocrellin b

Base Information

• Chemical Name: Hypocrellin b
• CAS No.: 123940-54-5
• Molecular Formula: C₃₀H₂₄O₉
• Molecular Weight: 528.515
• European Community (EC) Number: 602-963-8
• Nikkaji Number: J470.641B,J577.248F
• Wikidata: Q75059992,Q104916545
• Metabolomics Workbench ID: 118138
• ChEMBL ID: CHEMBL2029624,CHEMBL4793204
• Mol file: 123940-54-5.mol

Synonyms:hypocrellin B

Chemical Property of Hypocrellin b

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 261-263℃
• Boiling Point: 947.3°Cat760mmHg
• PKA: 6.62±0.40(Predicted)
• Flash Point: 319.4°C
• PSA: 128.59000
• Density: 1.52g/cm³
• LogP: 4.83820
• Storage Temp.: ?20°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 528.14203234
• Heavy Atom Count: 39
• Complexity: 1200

Purity/Quality:

99% ^*data from raw suppliers

Hypocrellin B ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C3C4=C(C1)C(=C(C5=C4C(=C6C3=C(C(=O)C=C6OC)C(=C2OC)O)C(=CC5=O)OC)O)OC)C(=O)C
• Uses: Hypocrellin B is an apoptosis inducer.

Technology Process of Hypocrellin b

There total 3 articles about Hypocrellin b which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

hypocrellin A → hypocrellin-B (123940-54-5)

Guidance literature:

With potassium hydroxide; In water; for 24h; Darkness;

Reference yield:

ent-isophleichrome (56974-44-8,77115-15-2,124986-26-1,127180-30-7,132880-98-9,136374-42-0) → hypocrellin-B (123940-54-5)

Guidance literature:

With acetic anhydride; dimethyl sulfoxide; at 40 ℃; for 24h;

Reference yield:

1,12-bisacetonyl-2,6,7,11-tetramethoxy-4,9-dihydroxy-3,10-perylenedione (1250863-77-4) → hypocrellin-B (123940-54-5)

Guidance literature:

1,12-bisacetonyl-2,6,7,11-tetramethoxy-4,9-dihydroxy-3,10-perylenedione; With lithium hydroxide; In methanol; water; at 0 - 20 ℃;

With hydrogenchloride; In methanol; water; pH=4; Product distribution / selectivity;

upstream raw materials:

ent-isophleichrome

1,12-bisacetonyl-2,6,7,11-tetramethoxy-4,9-dihydroxy-3,10-perylenedione

Refernces

• 1、 -. "Method for preparing hypocrellin". Page/Page column 5. . Retrieved 2010/11/03.